UCSF

ZINC37829020

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.67 2.07 -51.15 1 7 -1 93 270.309 6
Mid Mid (pH 6-8) -0.67 4.21 -71.25 2 7 0 94 271.317 6
Lo Low (pH 4.5-6) -0.67 2.23 -48.98 3 7 1 91 272.325 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )